SCHEMBL23550

SCHEMBL23550

O=[N+]([O-])c1cccc(N(CCO)CCO)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 1/20 0.60
LMNA P02545 2/20 0.55
TSHR P16473 5/20 0.52
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.49
MAPT P10636 3/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.45
ACHE P22303 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL20267626 0.98 ALDH1A1 (0.59) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL7467742 0.91 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL2418609 0.90 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL16576982 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL16576518 0.84 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL16576523 0.84 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL282374 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL455957 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL7472169 0.83 TSHR (0.53) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL4632479 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1087 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723864-B1 THICKENED ONE-COMPONENT HAIR TONER HENKEL AG & CO KGAA (DE) 2026-01-14 EP claimed
WO-2021121823-A1 TINTING CONDITIONER HAVING IMPROVED DYEING PERFORMANCE HENKEL AG & CO. KGAA (DE) 2021-06-24 WO claimed
EP-2794017-B1 SUBSTANCE FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC ANTHRAQUINONE DYES AND FATTY ACID TRIGLYCERIDES HENKEL AG & CO KGAA (DE) 2018-09-19 EP claimed
EP-3267966-A1 COLOURING AGENT FOR KERATIN FIBRES, COMPRISING A SELECTED DYE AND A POLYOL Henkel AG & Co. KGaA (DE) 2018-01-17 EP claimed
EP-2897576-B1 COMPOSITION FOR TREATING KERATINOUS FIBRES, COMPRISING SPECIFIC AMINOSILICONES, ACIDS AND DIRECT DYES HENKEL AG & CO KGAA (DE) 2017-03-01 EP claimed
EP-2773429-B1 COLOR INTENSIFICATION BY POLYQUATERNIUM HENKEL AG & CO KGAA (DE) 2017-01-04 EP claimed
US-9504639-B2 Composition for treating keratinous fibres, comprising specific aminosilicones, acids and direct dyes HENKEL AG & CO. KGAA (DE) 2016-11-29 US claimed
WO-2016142269-A1 COLOURING AGENT FOR KERATIN FIBRES, COMPRISING A SELECTED DYE AND A POLYOL HENKEL AG & CO. KGAA (DE) 2016-09-15 WO claimed
US-9192556-B2 Substance for dyeing keratin fibers, including cationic anthraquinone dyes and fatty acid triglycerides HENKEL AG & CO. KGAA (DE) 2015-11-24 US claimed
US-9125832-B2 Coloring composition with direct dyes and zwitterionic surfactants HENKEL AG & CO. KGAA (DE) 2015-09-08 US claimed
EP-2012742-B1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO KGAA (DE) 2014-03-19 EP claimed
WO-2013092088-A2 COLOURING COMPOSITION WITH DIRECT DYES AND ZWITTERIONIC SURFACTANTS HENKEL AG & CO. KGAA (DE) 2013-06-27 WO claimed
WO-2013092060-A2 SUBSTANCE FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC ANTHRAQUINONE DYES AND FATTY ACID TRIGLYCERIDES HENKEL AG & CO. KGAA (DE) 2013-06-27 WO claimed
WO-2013092092-A2 COLORING AGENT COMPRISING CATIONIC DIRECT DYES AND LECITHINS HENKEL AG & CO. KGAA (DE) 2013-06-27 WO claimed
WO-2013064341-A2 COLOR INTENSIFICATION BY POLYQUATERNIUM HENKEL AG & CO. KGAA (DE) 2013-05-10 WO claimed
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 US claimed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP claimed
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP claimed
EP-1207844-B1 METHOD FOR COLOURING HAIR HENKEL KGAA (DE) 2006-04-26 EP claimed
WO-2003099242-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 ALDH1A1 105/4885MEN1 2901/4885KMT2A 2815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.